2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C19H22N2O3 — CID 3157232

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H22N2O3/c1-13(2)24-11-5-10-20-17(22)12-21-16-9-4-7-14-6-3-8-15(18(14)16)19(21)23/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22)
InChIKeySWCDIMPEYZSJRY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.73
Rot. Bonds7

About 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 3157232) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID3157232
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H22N2O3/c1-13(2)24-11-5-10-20-17(22)12-21-16-9-4-7-14-6-3-8-15(18(14)16)19(21)23/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22)
InChIKeySWCDIMPEYZSJRY-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 3157232) is 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is SWCDIMPEYZSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)24-11-5-10-20-17(22)12-21-16-9-4-7-14-6-3-8-15(18(14)16)19(21)23/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 3157232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).